200,000+ products from a single source!
sales@angenechem.com
7559-81-1 | 2-(CHLOROMETHYL)-5-HYDROXY-4H-PYRAN-4-ONE
CAS No: 7559-81-1 Catalog No: AG005ARO MDL No:MFCD00053592
Product Description
Catalog Number:
AG005ARO
Chemical Name:
2-(CHLOROMETHYL)-5-HYDROXY-4H-PYRAN-4-ONE
CAS Number:
7559-81-1
Molecular Formula:
C6H5ClO3
Molecular Weight:
160.5551
MDL Number:
MFCD00053592
IUPAC Name:
2-(chloromethyl)-5-hydroxypyran-4-one
InChI:
InChI=1S/C6H5ClO3/c7-2-4-1-5(8)6(9)3-10-4/h1,3,9H,2H2
InChI Key:
WSVIQCQIJLDTEK-UHFFFAOYSA-N
SMILES:
Oc1coc(cc1=O)CCl
UNII:
UB7QQW2D47
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.993g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.553g/mol
Monoisotopic Mass:
159.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Identifying chelators for metalloprotein inhibitors using a fragment-based approach. | Journal of medicinal chemistry 20110127 |
| A study of cytotoxicity of novel chlorokojic acid derivatives with their antimicrobial and antiviral activities. | European journal of medicinal chemistry 20100901 |
| Synthesis, antimicrobial evaluation and QSAR study of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives. | European journal of medicinal chemistry 20090501 |
| 5-Hydr-oxy-2-methyl-4H-pyran-4-one. | Acta crystallographica. Section E, Structure reports online 20090201 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.